Analysis of Active Components and Metabolites of Modified Ermiao Decoction Based on UPLC-Q-Exactive Orbitrap-MS/MS Technology
10.14148/j.issn.1672-0482.2025.0998
- VernacularTitle:基于UPLC-Q-Exactive Orbitrap-MS/MS技术分析加味二妙方的活性成分与代谢产物
- Author:
Xian GE
1
;
Hongting ZHAO
;
Li CHEN
;
Ruoxi ZHANG
;
Shichun ZHU
;
Qingling REN
Author Information
1. 南京中医药大学附属医院,江苏 南京 210029;江苏省中医妇产生殖临床医学创新中心,江苏 南京 210029
- Publication Type:Journal Article
- Keywords:
Modified Ermiao Formula;
UPLC-Q-Exactive Orbitrap-MS/MS;
human papillomavirus;
blood-absorbed components
- From:
Journal of Nanjing University of Traditional Chinese Medicine
2025;41(8):998-1010
- CountryChina
- Language:Chinese
-
Abstract:
OBJECTIVE To conduct qualitative analysis of chemical constituents in the crude extract of Modified Ermiao Formu-la,along with its blood-absorbed components and metabolites in rats post-administration employing ultra-performance liquid chroma-tography coupled with quadrupole-exactive orbitrap tandem mass spectrometry(UPLC-Q-Exactive Orbitrap-MS/MS).METHODS Separation was performed on a Waters HSS T3 column(100 mm×2.1 mm,1.8 μm)using gradient elution with 0.1%formic acid in water(mobile phase A)and 0.1%formic acid in acetonitrile(mobile phase B),under controlled conditions:column temperature maintained at 40℃,flow rate set to 0.3 mL·min-1,and injection volume fixed at 2 μL.Mass spectrometric data acquisition utilized an electrospray ionization(ESI)source with scanning in both positive and negative ion modes.RESULTS By analyzing precise mo-lecular weights,retention times,and MS/MS fragmentation patterns,and cross-referencing these against established databases and published literature,173 chemical constituents were definitively identified in the Modified Ermiao Formula crude extract.These prima-rily comprised flavonoids,organic acids,and alkaloids.Additionally,32 prototype components and 13 metabolites were characterized in the serum of dosed rats.Organic acids constituted the predominant class of serum prototype components,undergoing in vivo metabo-lism principally through demethylation and carboxyl glucuronidation.CONCLUSION This study provides the initial delineation of blood-absorbed prototype components derived from Modified Ermiao Formula,with concomitant identification of their metabolites,thereby establishing a foundational framework for elucidating the pharmacologically active constituents of this formula.
